5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H19N5O — CID 114206209

IUPAC5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H19N5O/c1-12-7-9-8-13-11(14-10(9)17)16-5-3-15(2)4-6-16/h8,12H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyXHXZGBXJZBIJDR-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.76
Rot. Bonds3

About 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 114206209) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID114206209
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H19N5O/c1-12-7-9-8-13-11(14-10(9)17)16-5-3-15(2)4-6-16/h8,12H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyXHXZGBXJZBIJDR-UHFFFAOYSA-N
XLogP-0.76
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 114206209) is 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CNCc1cnc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is XHXZGBXJZBIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-12-7-9-8-13-11(14-10(9)17)16-5-3-15(2)4-6-16/h8,12H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).